1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one

C15H19N3O — CID 69238369

IUPAC1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-3-4-15(19)12-5-7-14(8-6-12)18-11(2)13-9-16-17-10-13/h5-11,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyXOLQJZIZIZVLKR-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.57
Rot. Bonds6

About 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one

1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one (PubChem CID 69238369) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one
PubChem CID69238369
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NC(C)c2cn[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-3-4-15(19)12-5-7-14(8-6-12)18-11(2)13-9-16-17-10-13/h5-11,18H,3-4H2,1-2H3,(H,16,17)
InChIKeyXOLQJZIZIZVLKR-UHFFFAOYSA-N
XLogP3.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propan-2-ylamino)phenyl]butan-1-one
CID 18723683
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690
1-[4-[1-(4-methylphenyl)ethylamino]phenyl]hexane-1,5-dione
CID 157362189
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
2-(4-carbamothioylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106217451

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one?
The IUPAC name of 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one (CID 69238369) is 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one is CCCC(=O)c1ccc(NC(C)c2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one?
The InChIKey is XOLQJZIZIZVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-4-15(19)12-5-7-14(8-6-12)18-11(2)13-9-16-17-10-13/h5-11,18H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one?
1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one has a molecular weight of 257.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1H-pyrazol-4-yl)ethylamino]phenyl]butan-1-one is sourced from PubChem (CID 69238369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).